Table 2: Autodock 4.2 parameters used for docking.
|
Grid Parameters |
Docking Parameters |
||
|
Spacing |
0.375Å |
Energy evaluations |
2.5 x 106 |
|
Grid Center |
80X Å 80Y Å 80Z Å |
Iterations |
27000 |
|
Mutation rate |
0.02 |
||
|
Crossover rate |
0.80 |
||
|
|
|
Elitism value |
1 |
|
|
|
RMS Tolerance |
1.0 Å |